Vitas-M small molecule compound

N-(2-methylphenyl)-1-(4-methylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide

Catalog ID
STL007021
SMILES Cc1ccc(cc1)c1nn2c3n1CCCCc3c(c2C(=S)Nc1ccccc1C)c1ccccc1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C30H28N4S MW 476.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N4S/c1-20-15-17-23(18-16-20)28-32-34-27(29(35)31-25-14-7-6-10-21(25)2)26(22-11-4-3-5-12-22)24-13-8-9-19-33(28)30(24)34/h3-7,10-12,14-18H,8-9,13,19H2,1-2H3,(H,31,35)
InChIKey
KNPLOTUWLATQGZ-UHFFFAOYSA-N
Synonyms
540773-50-0
1phenylN(otolyl)4(ptolyl)5678tetrahydro2a34atriazacyclopenta(cd)azulene2carbothioamide
540773500
CC1=CC=C(C=C1)C2=NN3C(=C(C4=C3N2CCCC4)C5=CC=CC=C5)C(=S)NC6=CC=CC=C6C
InChI=1SC30H28N4Sc120151723(181620)28323427(29(35)312514761021(25)2)26(22114351222)2413891933(28)30(24)34h3710121418H891319H212H3(H3135)
MFCD03460434
N(2methylphenyl)1(4methylphenyl)4phenyl5678tetrahydro22a8atriazacyclopenta(cd)azulene3carbothioamide
ZINC000002247765
ZINC02247765
ZINC2247765

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Available files

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